Methyl fluoroacetate(453-18-9) MS
Product NameMethyl fluoroacetate
CAS453-18-9
Molecular FormulaC3H5FO2
Molecular Weight92.07
InChIInChI=1S/C3H5FO2/c1-6-3(5)2-4/h2H2,1H3
InChIKey RJBYSQHLLIHSLT-UHFFFAOYSA-N
SmilesC(OC)(=O)CF
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MassMS-NW-2965 methyl fluoroacetate C3H5FO2 (Mass of molecular ion: 92)
Source Temperature: 280 °C Sample Temperature: 180 °C Reservoir, 75 eV
13.0 1.4 14.0 4.7 15.0 64.5 28.0 1.1 29.0 16.2 30.0 1.5 31.0 7.2 32.0 3.9 33.0 72.8 35.0 2.9 42.0 5.3 43.0 1.0 44.0 1.1 45.0 1.7 46.0 1.2 47.0 13.2 48.0 11.4 59.0 100.0 60.0 5.7 61.0 48.7 62.0 1.4 63.0 5.5 92.0 7.9
90 MHz in CDCl3
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1H NMR 89.56 MHz C3 H5 F O2 0.04 ml : 0.5 ml CDCl3 methyl fluoroacetate 
Assign. Shift(ppm)
A 4.864 B 3.821 J(A,B)=0.3HZ J(A,F-19)=47HZ
Hz ppm Int.459.38 5.130 335 459.06 5.126 326 412.38 4.605 336 342.38 3.823 1000
in CDCl3
liquid film
4880 A,200 M,liquid
